[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-[2-(4-methoxyphenoxy)ethyl]-methyl-azanium

Systemtic Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-[2-(4-methoxyphenoxy)ethyl]-methyl-azanium Openeye Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]-[2-(4-methoxyphenoxy)ethyl]-methyl-ammonium CAS Name: [2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]-[2-(4-methoxyphenoxy)ethyl]-methylammonium IUPAC Name: [2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-[2-(4-methoxyphenoxy)ethyl]-methylazanium Traditional Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl]-[2-(4-methoxyphenoxy)ethyl]-methyl-ammonium Formula: C25H33N4O3+ MolecularWeight: 437.55452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C[NH+](C)CCOC2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C[NH+](C)CCOC2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C25H32N4O3/c1-25(2,3)22-17-23(29(27-22)19-9-7-6-8-10-19)26-24(30)18-28(4)15-16-32-21-13-11-20(31-5)12-14-21/h6-14,17H,15-16,18H2,1-5H3,(H,26,30)/p+1